SCHEMBL5028301

SCHEMBL5028301

c1ccc(-c2ccccc2-c2ccc3c(c2)c2cnccc2n3-c2cccc(-c3cccc4c3oc3ccc(-n5c6ccncc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc34)c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.36
GRM5 P41594 13/20 0.35
ALOX5 P09917 1/20 0.35
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5029897 0.91 ALOX5 (0.43) PRKDCALOX5PRMT5WDR77
SCHEMBL17694302 0.91 TGFBR1 (0.34) GRM5
SCHEMBL16451565 0.88 TGFBR1 (0.33) GRM5
SCHEMBL10038538 0.87 PRKDC (0.36) PRKDCGRM5ALOX5PRMT5WDR77
SCHEMBL18748726 0.86 ALOX5AP (0.31)
SCHEMBL5028303 0.85 ALOX5 (0.33) PRKDCALOX5
SCHEMBL12114604 0.85 GRM5 (0.42) GRM5HTR1AHTR7
SCHEMBL13471342 0.85 GRM5 (0.39) GRM5
SCHEMBL5028454 0.84 ALOX5 (0.34) GRM5ALOX5
SCHEMBL10038552 0.84 ALOX5 (0.34) PRKDCGRM5ALOX5HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130119360-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME MERCK PATENT GMBH (DE) 2013-05-16 US disclosed
US-8367224-B2 Organic electroluminescence element, new compound for the same, display device and lighting device using the same KONICA MINOLTA HOLDINGS, INC. (JP) 2013-02-05 US disclosed
EP-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL PRKDC 3081/4885GRM5 2093/4885ALOX5 855/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.